Home Carboxys 2-(1-cyano-2-methylbutyl)-1,3-thiazole-4-carboxylic acid

2-(1-cyano-2-methylbutyl)-1,3-thiazole-4-carboxylic acid

CAS No.:
1551131-41-9
Catalog Number:
AG01BUZ9
Molecular Formula:
C10H12N2O2S
Molecular Weight:
224.2795
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Product Description
Catalog Number:
AG01BUZ9
Chemical Name:
2-(1-cyano-2-methylbutyl)-1,3-thiazole-4-carboxylic acid
CAS Number:
1551131-41-9
Molecular Formula:
C10H12N2O2S
Molecular Weight:
224.2795
MDL Number:
MFCD26191883
IUPAC Name:
2-(1-cyano-2-methylbutyl)-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C10H12N2O2S/c1-3-6(2)7(4-11)9-12-8(5-15-9)10(13)14/h5-7H,3H2,1-2H3,(H,13,14)
InChI Key:
GKFXGKIBVFDKBP-UHFFFAOYSA-N
SMILES:
CC(C(c1nc(cs1)C(=O)O)C#N)CC
Properties
Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.062g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.278g/mol
Monoisotopic Mass:
224.062g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties